SCHEMBL2233296

SCHEMBL2233296

CN(c1ccnc(-c2cnn3ccncc23)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 2/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
USP30 Q70CQ3 3/20 0.37
CYP2C9 P11712 1/20 0.37
PIK3CD O00329 1/20 0.37
HPGDS O60760 1/20 0.37
IRAK1 P51617 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2350007 0.88 JAK3 (0.44) JAK2JAK1JAK3
SCHEMBL2231304 0.87 JAK3 (0.44) PRMT5JAK2JAK1JAK3CCNK
SCHEMBL2231299 0.87 JAK3 (0.44) PRMT5JAK2JAK1JAK3CCNK
SCHEMBL12346476 0.85 JAK3 (0.47) JAK2JAK1JAK3
SCHEMBL2233927 0.84 JAK2 (0.56) JAK2JAK1JAK3
SCHEMBL2231517 0.82 JAK2 (0.47) JAK2JAK1JAK3CCNKCDK12
SCHEMBL2231516 0.82 JAK2 (0.47) JAK2JAK1JAK3CCNKCDK12
SCHEMBL2231024 0.77 JAK2 (0.46) JAK2JAK1JAK3
SCHEMBL2231021 0.77 JAK2 (0.46) JAK2JAK1JAK3
SCHEMBL2233302 0.76 JAK3 (0.34) JAK2JAK1JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-9206183-B2 Substituted pyrazolo[1,5-a]pyridines as JAK inhibitors ALMIRALL, S.A. (ES) 2015-12-08 US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 US disclosed
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL SA (ES) 2015-04-30 US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US disclosed
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-03-27 US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US disclosed
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS BACH TANA JORDI (ES) 2013-08-15 US disclosed
CN-102762570-A Pyrazole derivatives as JAK inhibitors ALMIRALL SA 2012-10-31 CN disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP disclosed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150118186-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PRMT5 1019/4885JAK2 3/4885JAK1 1/4885
US-20130209400-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PRMT5 886/4885JAK2 3/4885JAK1 1/4885
US-20140086870-A9 PYRAZOLE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 PRMT5 886/4885JAK2 3/4885JAK1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.